N-cyclooctyl-2-{[2-(1H-indol-3-yl)ethyl]amino}acetamide

• ChemBase ID: 429828
• Molecular Formular: C20H29N3O
• Molecular Mass: 327.46376
• Monoisotopic Mass: 327.23106256
• SMILES: [nH]1cc(c2c1cccc2)CCNCC(=O)NC1CCCCCCC1
• Canonical SMILES: O=C(NC1CCCCCCC1)CNCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C20H29N3O/c24-20(23-17-8-4-2-1-3-5-9-17)15-21-13-12-16-14-22-19-11-7-6-10-18(16)19/h6-7,10-11,14,17,21-22H,1-5,8-9,12-13,15H2,(H,23,24)
• InChIKey: PRQBLACQHANLJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclooctyl-2-{[2-(1H-indol-3-yl)ethyl]amino}acetamide
• IUPAC Traditional name: N-cyclooctyl-2-{[2-(1H-indol-3-yl)ethyl]amino}acetamide
• Synonyms: N-cyclooctyl-2-{[2-(1H-indol-3-yl)ethyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.884678
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 0.52758884
• LogD (pH = 7.4): 2.0804944
• Log P: 3.5021424
• Molar Refractivity: 98.1672 cm^3
• Polarizability: 39.605366 Å^3
• Polar Surface Area: 56.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 3.97
• LOG S: -4.98
• Polar Surface Area: 56.92 Å^2
• Rotatable Bonds: 6